SCHEMBL5191302

SCHEMBL5191302

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.78
ICAM1 P05362 9/20 0.78
ITGAL P20701 9/20 0.78
ERAP2 Q6P179 1/20 0.77
CTSL P07711 1/20 0.71
ALOX15 P16050 1/20 0.70
ACE P12821 2/20 0.68
TACR1 P25103 3/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA9 Q16790 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30616778 1.00 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL5259129 1.00 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9466705 1.00 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL22206878 0.99 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL22206876 0.99 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL11870861 0.94 ERAP2 (0.76) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9828348 0.93 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9828342 0.93 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL23092632 0.92 ITGB2 (0.81) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL21623652 0.92 ERAP2 (0.72) ITGB2ICAM1ITGALERAP2CTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111132962-B Tryptophan derivative and application thereof 彭险峰 2023-09-08 CN claimed
WO-2020143040-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF 黄华成 2020-07-16 WO claimed
CN-111132962-A Tryptophan derivative and application thereof 黄华成 2020-05-08 CN claimed
US-4283337-A Process for the purification of tryptophane and derivatives of tryptophane DEUTSCHE GOLD UND- SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-08-11 US claimed
US-4085207-A AND AT LEAST ONE OF N-ACYL-L-TRYPTOPHANS AND N-ACYL-L-PROLINES OTSUKA PHARMACEUTICAL FACTORY, INC. (JA) 1978-04-18 US claimed
WO-2025084336-A1 MOLECULE CAPABLE OF SIMULTANEOUSLY BINDING TO AAV CAPSID AND TARGET RECEPTOR 国立大学法人大阪大学 2025-04-24 WO disclosed
CN-111132962-B Tryptophan derivative and application thereof 彭险峰 2023-09-08 CN disclosed
CN-112438905-B Moisturizing and skin-brightening composition and application thereof 澳思美日用化工(广州)有限公司 2021-09-07 CN disclosed
CN-112438905-A Moisturizing and skin-brightening composition and application thereof 澳思美日用化工(广州)有限公司 2021-03-05 CN disclosed
WO-2020143040-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF 黄华成 2020-07-16 WO disclosed
WO-2020143040-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF 黄华成 2020-07-16 WO disclosed
CN-111132962-A Tryptophan derivative and application thereof 黄华成 2020-05-08 CN disclosed
EP-0052200-A1 Cyclic acetals of N-acylated glutamic acid gamma-semialdehydes, process for their preparation and their use Degussa Aktiengesellschaft (DE) 1982-05-26 EP disclosed
US-4283337-A Process for the purification of tryptophane and derivatives of tryptophane DEUTSCHE GOLD UND- SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-08-11 US disclosed
EP-0009898-A1 Novel anti-hypertensive mercaptoacylamino acid derivatives, their preparation and use UNIVERSITY OF MIAMI (US) 1980-04-16 EP disclosed
US-4085207-A AND AT LEAST ONE OF N-ACYL-L-TRYPTOPHANS AND N-ACYL-L-PROLINES OTSUKA PHARMACEUTICAL FACTORY, INC. (JA) 1978-04-18 US disclosed
US-4010181-A BIS(PHOSPHINOMETHYL)CYCLOBUTANE RHODIUM COMPLEXES RHONE-POULENC S.A. (FR) 1977-03-01 US disclosed
US-4000297-A GASTROENTERIC ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1976-12-28 US disclosed
US-3978101-A HYDROGENATION CATALYSTS RHONE-POULENC S.A. (FR) 1976-08-31 US disclosed
US-3949000-A COMPLEX FORMERS RHONE-POULENC S.A. (FR) 1976-04-06 US disclosed